REMARK Name = BDB021665 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.832 0.376 0.339 0.00 0.00 +0.159 C ATOM 2 C LIG 1 1.304 0.204 0.538 0.00 0.00 +0.238 C ATOM 3 O LIG 1 0.867 -0.962 0.511 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.444 1.230 0.861 0.00 0.00 -0.270 N ATOM 5 C LIG 1 0.519 2.669 0.560 0.00 0.00 +0.167 C ATOM 6 C LIG 1 -0.946 3.162 0.734 0.00 0.00 +0.045 C ATOM 7 C LIG 1 -1.594 2.115 1.627 0.00 0.00 +0.035 C ATOM 8 N LIG 1 1.417 3.469 1.403 0.00 0.00 -0.283 N ATOM 9 C LIG 1 1.502 4.830 1.073 0.00 0.00 +0.214 C ATOM 10 O LIG 1 0.901 5.321 0.116 0.00 0.00 -0.276 OA ATOM 11 C LIG 1 2.344 5.711 1.964 0.00 0.00 +0.109 C ATOM 12 C LIG 1 2.522 2.821 2.097 0.00 0.00 +0.109 C ATOM 13 C LIG 1 3.716 2.591 1.172 0.00 0.00 +0.021 C ATOM 14 C LIG 1 -0.943 0.840 1.124 0.00 0.00 +0.164 C ATOM 15 C LIG 1 3.415 1.725 -0.053 0.00 0.00 +0.033 C ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 4.468 -1.225 -0.622 0.00 0.00 +0.230 C ATOM 17 N LIG 1 3.215 -0.653 -0.640 0.00 0.00 -0.303 N ATOM 18 H LIG 1 2.443 -1.207 -1.001 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 5.377 -0.774 0.079 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 C LIG 1 4.680 -2.406 -1.611 0.00 0.00 +0.137 C ATOM 21 C LIG 1 3.566 -3.452 -1.565 0.00 0.00 +0.034 C BRANCH 20 23 ATOM 22 C LIG 1 6.152 -3.842 -0.244 0.00 0.00 +0.101 C ATOM 23 N LIG 1 6.031 -2.996 -1.426 0.00 0.00 -0.309 NA ATOM 24 H LIG 1 6.676 -2.209 -1.307 0.00 0.00 +0.122 HD ENDBRANCH 20 23 ENDBRANCH 16 20 ENDBRANCH 1 17 BRANCH 14 25 ATOM 25 C LIG 1 -1.669 0.358 -0.159 0.00 0.00 +0.234 C ATOM 26 N LIG 1 -2.828 -0.344 0.085 0.00 0.00 -0.307 N ATOM 27 H LIG 1 -3.142 -0.494 1.035 0.00 0.00 +0.149 HD ATOM 28 O LIG 1 -1.276 0.631 -1.292 0.00 0.00 -0.274 OA BRANCH 26 29 ATOM 29 C LIG 1 -3.686 -0.818 -0.991 0.00 0.00 +0.103 C ATOM 30 C LIG 1 -4.453 -2.058 -0.554 0.00 0.00 -0.024 A ATOM 31 C LIG 1 -5.827 -2.209 -0.825 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -6.493 -3.371 -0.403 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -5.802 -4.393 0.245 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.437 -4.268 0.477 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.617 -1.135 -1.530 0.00 0.00 +0.035 C ATOM 36 C LIG 1 -5.731 -0.181 -2.325 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -3.766 -3.113 0.076 0.00 0.00 +0.006 A ATOM 38 C LIG 1 -4.601 0.331 -1.446 0.00 0.00 +0.027 C ENDBRANCH 26 29 ENDBRANCH 14 25 TORSDOF 5